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Limitations of machine learning models when predicting compounds with completely new chemistries: possible improvements applied to the discovery of new non-fullerene acceptors

Crossref DOI link: https://doi.org/10.1039/D2DD00004K

Published Online: 2022

Update policy: https://doi.org/10.1039/rsc_crossmark_policy

Authors

Zhao, Zhi-Wen

del Cueto, Marcos https://orcid.org/0000-0001-7744-8530
Troisi, Alessandro https://orcid.org/0000-0002-5447-5648
Funding

Funding for this research was provided by:

China Scholarship Council

Engineering and Physical Sciences Research Council

European Research Council
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